| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 7 | Yes |
Popular Name: 4-Methylpyridine 4-Methylpyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-89-4 , 29703-55-7 , 626-58-4 , [108-89-4] , [14401-93-5]
4-(Trifluoromethyl)Pyridine[3796-24-5]
4-Mepy; 4-picoline; gamma-picoline; p-methylpyridine; p-picoline
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.10 | 3.4 | -3.87 | 0 | 1 | 0 | 13 | 93.129 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.10 | 3.68 | -29.2 | 1 | 1 | 1 | 14 | 94.137 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 144 | TCI |
| Boiling_Point | 144-145? | Alfa-Aesar |
| Boiling_Point | 144-145° | Alfa-Aesar |
| BP [°C] | 145 | Acros Organics |
| BP | 145° | Oakwood Chemical |
| Mp [°C] | 2.4 | Acros Organics |
| MP | 2.4° | Oakwood Chemical |
| Melting_Point | 3? | Alfa-Aesar |
| Melting_Point | 3° | Alfa-Aesar |
| Purity | 98% | Fluorochem |
| Patent Database Links | EP0789020; EP1273583; US2005106689; US2007232612; WO2005063389; WO2005113528; WO2006043075; WO2006075888; WO2007100990; WO2007127136 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H332: Harmful if inhaled; H311: Toxic in contact with skin; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mis | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R20/22: Harmful by inhalation and if swallowed.; R24: Toxic in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36: Wear suitable protective clothing.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.